CID 69849192

Rac-(1r,3s)-3-({[(tert-butoxy)carbonyl]amino}methyl)cyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](C1)C(=O)O
InChI
InChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-7-8-4-5-9(6-8)10(14)15/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)/t8-,9+/m1/s1
InChIKey
ZBUIZJFYOXKOCH-BDAKNGLRSA-N
Compound name
(1S,3R)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

243.14706 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 157.7
[M+Na]+ 266.13628 161.7
[M-H]- 242.13978 159.3
[M+NH4]+ 261.18088 175.9
[M+K]+ 282.11022 161.1
[M+H-H2O]+ 226.14432 152.6
[M+HCOO]- 288.14526 176.3
[M+CH3COO]- 302.16091 191.2
[M+Na-2H]- 264.12173 158.1
[M]+ 243.14651 156.6
[M]- 243.14761 156.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe